Monomers
2-Propenyl trimethylacetate
Identifiers
IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
4.0901 -1.2532 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1973 -0.4630 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2322 0.2946 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 -0.0466 0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 0.5682 -0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1588 1.4104 -1.3591 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 0.2791 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7978 -1.2028 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 0.5376 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4385 1.0521 -1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1020 -1.3367 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7996 -1.8102 0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1884 -0.3834 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3651 1.4081 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3680 0.1137 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -1.3716 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6793 -1.5905 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8581 -1.7144 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5182 1.4460 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6952 -0.3230 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0571 0.6588 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4030 0.5439 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8758 1.1032 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5886 2.0798 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 9 1 0
7 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers